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  1. ALA4476817

    Name:
    N-[3-(piperidin-4-yl)-5-(trifluoromethyl)phenyl]gu
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    Mol. Formula:
    C13H17F3N4

    M.W.:
    286.30

    Type:
    Unknown

    AlogP:
    2.48

    Polar Surface Area:
    73.93

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA4474974

    Name:
    (2Z,4Z,6Z)-3-((E)-3-(2,4-dichlorophenyl)acryloyl)-
    Show More

    Mol. Formula:
    C16H10Cl2O3

    M.W.:
    321.16

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA4521019

    Name:
    (E)-3-((2-chloro-6-methoxy-4-((3-oxobenzo[d]thiazo
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    Mol. Formula:
    C25H17ClN2O5S

    M.W.:
    492.94

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    90.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA4553432

    Name:
    2-(1-(4-chlorophenyl)-2-methyl-1H-indol-5-yloxy)ac
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    Mol. Formula:
    C17H14ClNO3

    M.W.:
    315.76

    Type:
    Unknown

    AlogP:
    4.06

    Polar Surface Area:
    51.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA4576930

    Name:
    4-(2-(5-chlorobenzo[d]oxazol-2-ylthio)acetamido)be
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    Mol. Formula:
    C16H11ClN2O4S

    M.W.:
    362.79

    Type:
    Unknown

    AlogP:
    3.91

    Polar Surface Area:
    92.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA4779840

    Name:
    1-chloro-4-isopropyl-2-(2-nitrophenylthio)-2,3,3a,
    Show More

    Mol. Formula:
    C22H23ClN2O4S

    M.W.:
    446.96

    Type:
    Unknown

    AlogP:
    5.61

    Polar Surface Area:
    92.47

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA4778575

    Name:
    N-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)-2-(4,7
    Show More

    Mol. Formula:
    C22H20N4O3

    M.W.:
    388.43

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    90.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA4777785

    Name:
    2-((5-(4-chloro-3-methylphenyl)furan-2-yl)methylen
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    Mol. Formula:
    C20H13ClO2S

    M.W.:
    352.84

    Type:
    Unknown

    AlogP:
    6.24

    Polar Surface Area:
    30.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. ALA4583798

    Name:
    (Z)-2-((5-(4-(1H-tetrazol-1-yl)phenyl)furan-2-yl)m
    Show More

    Mol. Formula:
    C21H12N6O2S

    M.W.:
    412.43

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    91.11

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  10. ALA4784600

    Name:
    methyl 3-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)
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    Mol. Formula:
    C21H14O4S

    M.W.:
    362.41

    Type:
    Unknown

    AlogP:
    5.06

    Polar Surface Area:
    56.51

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA4783271

    Name:
    1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenylth
    Show More

    Mol. Formula:
    C25H19Cl3N2O4S

    M.W.:
    549.86

    Type:
    Unknown

    AlogP:
    7.64

    Polar Surface Area:
    92.47

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  12. ALA4796282

    Name:
    2-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene
    Show More

    Mol. Formula:
    C20H13NO4S

    M.W.:
    363.39

    Type:
    Unknown

    AlogP:
    5.49

    Polar Surface Area:
    73.35

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA4795619

    Name:
    4-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiop
    Show More

    Mol. Formula:
    C15H16N2O3S

    M.W.:
    304.37

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    90.19

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA4794142

    Name:
    1-chloro-9-nitro-2-(2-nitrophenylthio)-4-propyl-2,
    Show More

    Mol. Formula:
    C22H22ClN3O6S

    M.W.:
    491.95

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    135.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA4790102

    Name:
    2-chloro-5-(5-((3-oxobenzo[b]thiophen-2(3H)-yliden
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    Mol. Formula:
    C20H11ClO4S

    M.W.:
    382.82

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    67.51

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  16. ALA4789081

    Name:
    2-(4-hydroxy-2-oxo-1,6-diphenyl-1,2-dihydropyridin
    Show More

    Mol. Formula:
    C24H17NO4S

    M.W.:
    415.47

    Type:
    Unknown

    AlogP:
    5.06

    Polar Surface Area:
    79.53

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA4787643

    Name:
    5-(2,4-dimethylphenylsulfonamido)-2-methylbenzofur
    Show More

    Mol. Formula:
    C18H17NO5S

    M.W.:
    359.40

    Type:
    Unknown

    AlogP:
    3.86

    Polar Surface Area:
    96.61

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  18. ALA4786630

    Name:
    4-(4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-me
    Show More

    Mol. Formula:
    C19H19NO5S

    M.W.:
    373.43

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    92.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  19. ALA4798963

    Name:
    2-(1,2,3,4-thiatriazol-5-ylthio)-N-(5-chloropyridi
    Show More

    Mol. Formula:
    C8H6ClN5OS2

    M.W.:
    287.76

    Type:
    Unknown

    AlogP:
    1.71

    Polar Surface Area:
    80.66

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  20. ALA4461414

    Name:
    (Z)-2-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methy
    Show More

    Mol. Formula:
    C21H13N3O4S

    M.W.:
    403.42

    Type:
    Unknown

    AlogP:
    3.93

    Polar Surface Area:
    90.65

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
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